Rishal Aggarwal

GNINA 1.0: molecular docking with deep learning

Andrew T. McNutt, Paul Francoeur, Rishal Aggarwal et al. · Journal of Cheminformatics · 2021 · 716 citations · Full text

GNINA 1.3: the next increment in molecular docking with deep learning

Andrew T. McNutt, Yanjing Li, Rocco Meli et al. · Journal of Cheminformatics · 2025 · 63 citations · Full text

Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data Sets

Ganesh Chandan Kanakala, Rishal Aggarwal, Divya Nayar et al. · ACS Omega · 2023 · 24 citations · Full text

Drug Target, Engineering, Machine Learning +25

Efficient and enhanced sampling of drug‐like chemical space for virtual screening and molecular design using modern machine learning methods

Manan Goel, Rishal Aggarwal, Bhuvanesh Sridharan et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2022 · 21 citations

Drug Target, Engineering, Machine Learning +22

LigGPT: Molecular Generation using a Transformer-Decoder Model

Viraj Bagal, Rishal Aggarwal, P. K. Vinod et al. · 2021 · 15 citations · Full text

Structured Prediction, Engineering, Machine Learning +20